SCHEMBL535594

SCHEMBL535594

CCC(Oc1ccc2ncccc2c1)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
PPARG P37231 5/20 0.53
PPARA Q07869 5/20 0.53
LMNA P02545 1/20 0.52
ALOX15 P16050 1/20 0.48
HTT P42858 1/20 0.48
CYP3A4 P08684 1/20 0.46
ALOX5 P09917 1/20 0.46
MET P08581 3/20 0.46
SRC P12931 2/20 0.46
KDR P35968 2/20 0.46
KIT P10721 1/20 0.46
FGFR2 P21802 1/20 0.46
AXL P30530 1/20 0.46
FLT3 P36888 1/20 0.46
MST1R Q04912 1/20 0.46
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
PLK1 P53350 1/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4954671 0.87 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2PPARGPPARALMNA
SCHEMBL4951421 0.83 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2PPARGPPARALMNA
SCHEMBL8935913 0.81 PPARG (0.77) ALDH1A1SMN1; SMN2PPARGPPARARAB9A
SCHEMBL8935921 0.81 PPARG (0.77) ALDH1A1SMN1; SMN2PPARGPPARARAB9A
SCHEMBL30559867 0.81 PPARG (0.77) ALDH1A1SMN1; SMN2PPARGPPARARAB9A
SCHEMBL534454 0.80 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2PPARGPPARALMNA
SCHEMBL535361 0.79 SMN1; SMN2 (0.51) ALDH1A1SMN1; SMN2PPARGPPARALMNA
SCHEMBL3607774 0.79 SMN1; SMN2 (0.51) ALDH1A1SMN1; SMN2PPARGPPARALMNA
SCHEMBL4951418 0.78 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2PPARGPPARALMNA
SCHEMBL5118518 0.77 ALOX5 (0.55) ALDH1A1SMN1; SMN2PPARGPPARALMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8507509-B2 Saturated and insaturated bi- or tricyclic aryloxyacetamine derivatives and their use as fungicides SYNGENTA CROP PROTECTION LLC (US) 2013-08-13 US disclosed
EP-2185518-B1 Aryloxyacetamide derivatives and their use as fungicides SYNGENTA PARTICIPATIONS AG (CH) 2012-02-08 EP disclosed
US-20100298356-A1 SATURATED AND INSATURATED BI- OR TRICYCLIC ARYLOXYACETAMINE DERIVATIVES AND THEIR USE AS FUNGICIDES SYNGENTA CROP PROTECTION, INC. (US) 2010-11-25 US disclosed
EP-2185518-A2 SATURATED AND INSATURATED BI- OR TRICYCLIC ARYLOXYACETAMIDE DERIVATIVES AND THEIR USE AS FUNGICIDES Syngenta Participations AG (CH) 2010-05-19 EP disclosed
WO-2009030467-A2 SATURATED AND INSATURATED BI- OR TRICYCLIC ARYLOXYACETAMIDE DERIVATIVES AND THEIR USE AS FUNGICIDES SYNGENTA PARTICIPATIONS AG, (CH) 2009-03-12 WO disclosed
US-7371764-B2 Quinolin-isoquinolin-and quinazolin-oxyalkylamides and their use as fungicides SYNGENTA LIMITED (GB) 2008-05-13 US disclosed
CN-100347160-C Quinolin-, isoquinolin-, and quinazolin-oxyalkylamides and their use as fungicides SYNGENTA LTD (GB) 2007-11-07 CN disclosed
EP-1567010-B1 QUINOLIN-, ISOQUINOLIN-, AND QUINAZOLIN-OXYALKYLAMIDES AND THEIR USE AS FUNGICIDES SYNGENTA LTD (GB) 2007-10-24 EP disclosed
US-20070072884-A1 QUINOLIN-ISOQUINOLIN-AND QUINAZOLIN-OXYALKYLAMIDES AND THEIR USE AS FUNGICIDES SYNGENTA LIMITED (GB) 2007-03-29 US disclosed
US-7122672-B2 Quinolin-, isoquinolin-, and quinazolin-oxyalkylamides and their use as fungicides SYNGENTA LIMITED (GB) 2006-10-17 US disclosed
US-20060019973-A1 Quinolin-,isoquinolin-,and quinazolin-oxyalkylamides and their use as fungicides SYNGENTA LIMITED (GB) 2006-01-26 US disclosed
CN-1717175-A Quinolin-, isoquinolin-, and quinazolin-oxyalkylamides and their use as fungicides SYNGENTA LTD (GB) 2006-01-04 CN disclosed
EP-1567010-A1 QUINOLIN-, ISOQUINOLIN-, AND QUINAZOLIN-OXYALKYLAMIDES AND THEIR USE AS FUNGICIDES Syngenta Limited (GB) 2005-08-31 EP disclosed
WO-2004047538-A1 QUINOLIN-, ISOQUINOLIN-, AND QUINAZOLIN-OXYALKYLAMIDES AND THEIR USE AS FUNGICIDES SYNGENTA LIMITED (GB) 2004-06-10 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100298356-A1 SATURATED AND INSATURATED BI- OR TRICYCLIC ARYLOXYACETAMINE DERIVATIVES AND THEIR USE AS FUNGICIDES CYP1A2, CYP1B1, CYP1A1 ALDH1A1 109/4885SMN1; SMN2 2208/4885PPARG 323/4885
US-20070072884-A1 QUINOLIN-ISOQUINOLIN-AND QUINAZOLIN-OXYALKYLAMIDES AND THEIR USE AS FUNGICIDES CBR3, CBR1, POR ALDH1A1 2830/4885SMN1; SMN2 4367/4885PPARG 3473/4885
US-20060019973-A1 Quinolin-,isoquinolin-,and quinazolin-oxyalkylamides and their use as fungicides CYP4X1, CYP51A1, CYP1A2 ALDH1A1 896/4885SMN1; SMN2 4038/4885PPARG 3117/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.